Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Orotate phosphoribosyltransferase (PfOPRT)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214779 (OPRT inhibitor, 2) Show SMILES OC1C(O)[C@H](Oc2ccc(cc2)[N+]([O-])=O)O[C@@H]1COP(O)(O)=O |r| Show InChI InChI=1S/C11H14NO10P/c13-9-8(5-20-23(17,18)19)22-11(10(9)14)21-7-3-1-6(2-4-7)12(15)16/h1-4,8-11,13-14H,5H2,(H2,17,18,19)/t8-,9?,10?,11-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214785 (OPRT inhibitor, 8) Show SMILES OC1C(O)[C@@H]2Cn3c(cc(=O)[nH]c3=O)C(=O)N2[C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214778 (OPRT inhibitor, 1 ) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)C(O)C1O |r| Show InChI InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9?,10?,11-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	190	-38.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214791 (OPRT inhibitor, 14) Show SMILES OC[C@H]1C[N@@H+](Cc2c([nH]c(=O)[nH]c2=O)C(O)=O)CC1O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	-38.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214786 (OPRT inhibitor, 9) Show SMILES OC[C@@H]1C(O)C(O)C[NH+]1CCn1cc(Br)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	-37.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214784 (OPRT inhibitor, 7) Show SMILES OC[C@@H]1C(O)C(O)[C@@H]2Cn3c(cc(=O)[nH]c3=O)C(=O)N12 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	-37.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214782 (OPRT inhibitor, 5) Show SMILES OC[C@H]1[NH2+][C@@H](Cn2c(cc(=O)[nH]c2=O)C#N)C(O)C1O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	-37.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214780 (OPRT inhibitor, 3) Show SMILES OC[C@H]1[NH2+][C@@H](Cn2cc(Br)c(=O)[nH]c2=O)C(O)C1O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214783 (OPRT inhibitor, 6) Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@@H](Cn2c(cc(=O)[nH]c2=O)C#N)C1O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214781 (OPRT inhibitor, 4) Show SMILES OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	-36.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214790 (OPRT inhibitor, 13) Show SMILES OC(=O)c1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCCC1 Show InChI InChI=1S/C10H13N3O4/c14-8-6(5-13-3-1-2-4-13)7(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	470	-36.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214793 (OPRT inhibitor, 16) Show SMILES OC[C@H]1[NH2+][C@H](C(O)C1O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C11H14N2O5/c14-5-8-10(15)11(16)9(12-8)6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2/p+1/t8-,9+,10?,11?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	-36.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214796 (OPRT inhibitor, 19) Show SMILES OCC(CO)[NH2+]Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C10H14N2O4/c13-6-9(7-14)11-5-8-1-3-10(4-2-8)12(15)16/h1-4,9,11,13-14H,5-7H2/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	-36.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214792 (OPRT inhibitor, 15) Show SMILES OC1C[N@H+](Cc2c([nH]c(=O)[nH]c2=O)C(O)=O)C[C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	-36.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214797 (OPRT inhibitor, 20) Show SMILES OCC(CO)[NH2+]CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C11H16N2O4/c14-7-10(8-15)12-6-5-9-1-3-11(4-2-9)13(16)17/h1-4,10,12,14-15H,5-8H2/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	-35.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214795 (OPRT inhibitor, 18) Show SMILES OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C13H18N2O4/c16-9-11-7-14(8-13(11)17)6-5-10-1-3-12(4-2-10)15(18)19/h1-4,11,13,16-17H,5-9H2/p+1/t11-,13?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	-35.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214787 (OPRT inhibitor, 10) Show SMILES OC[C@@H]1C(O)C(O)C[NH+]1CCn1c(cc(=O)[nH]c1=O)C(O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	690	-35.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214794 (OPRT inhibitor, 17) Show SMILES OC[C@H]1C[N@@H+](Cc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C12H16N2O4/c15-8-10-6-13(7-12(10)16)5-9-1-3-11(4-2-9)14(17)18/h1-4,10,12,15-16H,5-8H2/p+1/t10-,12?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	750	-35.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214788 (OPRT inhibitor, 11) Show SMILES OC[C@H]1C[N@@H+](CCn2cc(Br)c(=O)[nH]c2=O)CC1O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	-33.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Orotate phosphoribosyltransferase (Plasmodium falciparum)	BDBM214789 (OPRT inhibitor, 12) Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O |r| Show InChI InChI=1S/C11H15N2O8P/c14-9-7(4-21-22(18,19)20)13-8(10(9)15)6-3-12-2-1-5(6)11(16)17/h1-3,7-10,13-15H,4H2,(H,16,17)(H2,18,19,20)/p+1/t7-,8+,9?,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+4	-27.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair